BMRB Entry 27356

Title:
1H, 13C, and 15N Chemical Shift Assignments for ubiquitin in sf9 cells by in-cell NMR spectroscopy
Deposition date:
2018-01-10
Original release date:
2020-05-29
Authors:
Tanaka, Takashi; Ikeya, Teppei; Kamoshida, Hajime; Mishima, Masaki; Shirakawa, Masahiro; Guentert, Peter; Ito, Yutaka
Citation:

Citation: Tanaka, Takashi; Ikeya, Teppei; Kamoshida, Hajime; Suemoto, Yusuke; Mishima, Masaki; Shirakawa, Masahiro; Guntert, Peter; Ito, Yutaka. "High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells"  Angew. Chem. Int. Ed. Engl. 58, 7284-7288 (2019).
PubMed: 30938016

Assembly members:

Assembly members:
ubiquitin3A, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Spodoptera frugiperda   Vector: pFastBac

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts109
15N chemical shifts70
1H chemical shifts393

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1ubiquitin3A1

Entities:

Entity 1, ubiquitin3A 76 residues - Formula weight is not available

1   METGLNILEPHEVALLYSTHRALATHRGLY
2   LYSTHRILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUALAPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUALA
8   LEUARGLEUARGGLYGLY

Samples:

sample_1: ubiquitin3A, [U-100% 15N], 50 ± 12 uM; ubiquitin3A, [U-100% 13C; U-100% 15N], 50 ± 12 uM

sample_conditions_1: pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v3.98, Guntert, Mumenthaler and Wuthrich - data analysis

TOPSPIN v3.0, Bruker Biospin - collection

AZARA v2.8.1, Boucher - refinement

Analysis v2.4.2, CCPN - chemical shift assignment

TALOS-N v4.12, Cornilescu, Delaglio and Bax - data analysis

Molmol v2.6, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks